| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A quantum Monte Carlo study of the molybdenum dimer (Mo2)
|
Kulahlioglu, Adem Halil
|
|
|
1170 |
C |
p.
|
artikel
|
| 2 |
DFT calculations of the structural, electronic, optical and vibrational properties of anhydrous orthorhombic L-threonine crystals
|
Araújo, Roniel L.
|
|
|
1170 |
C |
p.
|
artikel
|
| 3 |
Editorial Board
|
|
|
|
1170 |
C |
p.
|
artikel
|
| 4 |
First-principle studies on the gas phase OH-initiated oxidation of O-toluidine
|
Abdel-Rahman, Mohamed A.
|
|
|
1170 |
C |
p.
|
artikel
|
| 5 |
Probing the catalytic activity of pristine and doped Pd and Ni metal clusters towards H2O molecule
|
Samal, Pragnya Paramita
|
|
|
1170 |
C |
p.
|
artikel
|
| 6 |
Quantum chemical calculation based investigation of synergistic chelating between multiple hydroxyamide ligands and La3+ ion
|
Pati, Anindita
|
|
|
1170 |
C |
p.
|
artikel
|
| 7 |
Reaction mechanism and kinetics of Criegee intermediate CH2OO with CH2 = C(CH3)CHO
|
Cai, Jie
|
|
|
1170 |
C |
p.
|
artikel
|
| 8 |
Structural and electronic properties of nanosize semiconductor CeSi n 0/− (n = 4–20) material: A double-hybrid density functional theory investigation
|
Chen, Yaqing
|
|
|
1170 |
C |
p.
|
artikel
|
| 9 |
Structure and electronic excitation spectra of low-lying isomers of Aun clusters (n = 2–20). A DFT study
|
Loginova, Anastasiia S.
|
|
|
1170 |
C |
p.
|
artikel
|
| 10 |
The effect of interstitial boron on the mechanisms of acetylene hydrogenation catalyzed by Pd6: A DFT study
|
Wang, Jianfeng
|
|
|
1170 |
C |
p.
|
artikel
|
| 11 |
The effects of substituent position and orientation on the structures and dipole moments of the cyanocyclohexanes using density functional theory calculations
|
McNamara, Kyle D.
|
|
|
1170 |
C |
p.
|
artikel
|
| 12 |
Theoretical study of the mechanism of Pd(II)-catalyzed nucleophilic addition initiated by aminopalladation
|
Wei, Wen-Mei
|
|
|
1170 |
C |
p.
|
artikel
|
| 13 |
Thermal reaction of 1,8-diketone: A computational study
|
Cinar, M. Emin
|
|
|
1170 |
C |
p.
|
artikel
|
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